diff --git a/docs/source/interfaces/Indirect Fitting.rst b/docs/source/interfaces/Indirect Fitting.rst index a34b44eb091244f954140fe80b606dd52b385005..1a592921c129cc417eaec3e7b1e289c2f2d416e0 100644 --- a/docs/source/interfaces/Indirect Fitting.rst +++ b/docs/source/interfaces/Indirect Fitting.rst @@ -230,6 +230,8 @@ The fit types available for use in IqtFit are :ref:`Exponentials <func-ExpDecay> :width: 450 :widget: tabIqtFit +.. _iqtfit-example-workflow: + I(Q, t) Fit Example Workflow ~~~~~~~~~~~~~~~~~~~~~~~~~~~~ The I(Q, t) Fit tab operates on ``_iqt`` files. The files used in this workflow are produced on the @@ -299,6 +301,44 @@ Resolution Either a resolution file (_res.nxs) or workspace (_res) or an :math:`S(Q, \omega)` file (*_sqw.nxs*, *_sqw.dave*) or workspace (*_sqw*). +.. _convfit-example-workflow: + +ConvFit Example Workflow +~~~~~~~~~~~~~~~~~~~~~~~~ +The Conv Fit tab allows ``_red`` and ``_sqw`` for its sample file, and allows ``_red``, ``_sqw`` and +``_res`` for the resolution file. The sample file used in this workflow can be produced using the run +number 26176 on the :doc:`Indirect Data Reduction <Indirect Data Reduction>` interface in the ISIS +Energy Transfer tab. The resolution file is created in the ISIS Calibration tab using the run number +26173. The instrument used to produce these files is IRIS, the analyser is graphite +and the reflection is 002. + +1. Click **Browse** for the sample and select the file ``iris26176_graphite002_red``. Then click **Browse** + for the resolution and select the file ``iris26173_graphite002_res``. + +2. Choose the **Fit Type** to be One Lorentzian. Tick the **Delta Function** checkbox. Set the background + to be a **Flat Background**. + +3. Expand the variables called **f0-Lorentzian** and **f1-DeltaFunction**. To tie the delta functions Centre + to the PeakCentre of the Lorentzian, right click on the Centre parameter and go to Tie->Custom Tie and then + enter f0.PeakCentre. + +4. Tick **Plot Guess** to get a prediction of what your fit will look like. + +5. Click **Run** and wait for the interface to finish processing. This should generate a + _Parameters table workspace and two group workspaces with end suffixes _Results and + _Workspaces. The mini-plots should also update, with the upper plot displaying the + calculated fit and the lower mini-plot displaying the difference between the input data and the + fit. + +6. Choose a default save directory and then click **Save Result** to save the _result workspaces + found inside of the group workspace ending with _Results. The saved workspace will be used in + the :ref:`fqfit-example-workflow`. + +Theory +~~~~~~ + +For more on the theory of Conv Fit see the :ref:`ConvFitConcept` concept page. + ConvFit fitting model ~~~~~~~~~~~~~~~~~~~~~ @@ -364,42 +404,6 @@ The Temperature Correction is a :ref:`UserFunction <func-UserFunction>` with the formula :math:`((x * 11.606) / T) / (1 - exp(-((x * 11.606) / T)))` where :math:`T` is the temperature in Kelvin. -ConvFit Example Workflow -~~~~~~~~~~~~~~~~~~~~~~~~ -The Conv Fit tab allows ``_red`` and ``_sqw`` for its sample file, and allows ``_red``, ``_sqw`` and -``_res`` for the resolution file. The sample file used in this workflow can be produced using the run -number 26176 on the :doc:`Indirect Data Reduction <Indirect Data Reduction>` interface in the ISIS -Energy Transfer tab. The resolution file is created in the ISIS Calibration tab using the run number -26173. The instrument used to produce these files is IRIS, the analyser is graphite -and the reflection is 002. - -1. Click **Browse** for the sample and select the file ``iris26176_graphite002_red``. Then click **Browse** - for the resolution and select the file ``iris26173_graphite002_res``. - -2. Choose the **Fit Type** to be One Lorentzian. Tick the **Delta Function** checkbox. Set the background - to be a **Flat Background**. - -3. Expand the variables called **f0-Lorentzian** and **f1-DeltaFunction**. To tie the delta functions Centre - to the PeakCentre of the Lorentzian, right click on the Centre parameter and go to Tie->Custom Tie and then - enter f0.PeakCentre. - -4. Tick **Plot Guess** to get a prediction of what your fit will look like. - -5. Click **Run** and wait for the interface to finish processing. This should generate a - _Parameters table workspace and two group workspaces with end suffixes _Results and - _Workspaces. The mini-plots should also update, with the upper plot displaying the - calculated fit and the lower mini-plot displaying the difference between the input data and the - fit. - -6. Choose a default save directory and then click **Save Result** to save the _result workspaces - found inside of the group workspace ending with _Results. The saved workspace will be used in - the :ref:`fqfit-example-workflow`. - -Theory -~~~~~~ - -For more on the theory of Conv Fit see the :ref:`ConvFitConcept` concept page. - F(Q) Fit -------- @@ -419,6 +423,8 @@ The fit types available in F(Q)Fit are :ref:`ChudleyElliot <func-ChudleyElliot>` :width: 450 :widget: tabJumpFit +.. _fqfit-example-workflow: + F(Q) Fit Example Workflow ~~~~~~~~~~~~~~~~~~~~~~~~~ The F(Q) Fit tab operates on ``_result`` files which can be produced on the ConvFit tab. The